1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one

C15H19N3O — CID 116626986

IUPAC1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
SMILESCCCc1nc2ccccc2n1C1CCN(C)C1=O
InChIInChI=1S/C15H19N3O/c1-3-6-14-16-11-7-4-5-8-12(11)18(14)13-9-10-17(2)15(13)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyZOGCQSPJIWTPKU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one

1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one (PubChem CID 116626986) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
PubChem CID116626986
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
SMILESCCCc1nc2ccccc2n1C1CCN(C)C1=O
InChIInChI=1S/C15H19N3O/c1-3-6-14-16-11-7-4-5-8-12(11)18(14)13-9-10-17(2)15(13)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyZOGCQSPJIWTPKU-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259194
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
3-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259111
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
N-ethyl-2-(2-propylbenzimidazol-1-yl)cyclopentan-1-amine
CID 115970696
3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
CID 116626981
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
2-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 115970712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one (CID 116626986) is 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one is CCCc1nc2ccccc2n1C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one?
The InChIKey is ZOGCQSPJIWTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-6-14-16-11-7-4-5-8-12(11)18(14)13-9-10-17(2)15(13)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3.
What are the key properties of 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one?
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 116626986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).